Information card for entry 7056782

Structure parameters

• Formula: C16 H21 N O5 S
• Calculated formula: C16 H21 N O5 S
• SMILES: S1[C@H](N([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)c1c(OC)cccc1
• Title of publication: X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids
• Authors of publication: Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 1078
• a: 31.2006 ± 0.0017 Å
• b: 10.1101 ± 0.0005 Å
• c: 5.9607 ± 0.0004 Å
• α: 90°
• β: 93.505 ± 0.004°
• γ: 90°
• Cell volume: 1876.73 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No